NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.3701 8.2393 119.7124 55.9371 32.3944 175.8477 12 S 4.0922 8.1543 111.9219 58.3845 63.3693 172.4086 13 Q 4.5790 9.3633 122.4821 54.4450 30.9807 175.9844 14 P 2.0000 0.0000 0.0000 64.7844 31.7623 178.2379 15 I 3.6979 7.1507 120.1645 63.7009 38.0096 176.4281 16 D 4.8668 7.5909 117.7215 53.6148 41.1752 176.5454 17 W 4.8265 8.3648 121.4585 56.8913 29.7926 176.3444 18 T 4.6877 8.9531 113.4155 60.6771 71.0998 176.1581 19 I 4.1367 8.1312 122.5453 64.2281 36.9801 178.5598 20 E 4.0356 8.1763 118.7843 59.3831 29.3430 179.1142 21 E 3.7178 8.1759 118.7663 59.1114 29.4096 179.5537 22 V 3.8388 7.9598 118.4185 66.1607 31.5865 178.2239 23 I 3.5605 7.8925 119.6251 64.3002 36.8235 178.2116 24 Q 3.8489 8.2969 120.7855 59.0532 28.6922 177.6784 25 Y 4.0186 7.8636 120.5147 60.7087 38.8682 177.9371 26 I 3.3329 7.6973 120.5262 64.5350 36.9592 178.4216 27 E 3.8739 8.2673 119.7781 59.2057 29.0547 179.3664 28 S 4.2616 8.2132 113.2602 60.3510 63.3022 175.2146 29 N 4.8816 7.4429 118.9956 53.2472 40.0696 174.4775 30 D 4.4490 8.0140 119.6831 52.2423 42.2681 174.6307 31 N 4.2982 8.6175 125.5225 55.9843 39.1844 176.6960 32 S 4.2965 7.8539 111.3462 59.9029 63.4146 174.6696 33 L 4.3968 7.8457 120.5260 54.7558 42.2334 178.1699 34 A 4.1786 7.9666 122.1328 54.2798 18.4280 180.2124 35 V 3.5702 7.6579 114.2572 64.5771 31.7805 176.5312 36 H 4.8303 8.1819 116.9081 55.6967 29.3856 176.8899 37 G 3.7528 8.2789 108.9321 48.3492 0.0000 175.8348 38 D 4.5148 8.1579 120.7697 56.6162 40.7459 178.4992 39 L 4.1496 7.9741 121.0241 58.1744 42.0445 178.9861 40 F 3.9421 8.5820 117.4112 60.3963 38.8898 177.7980 41 R 3.9836 8.0887 117.6639 59.0764 29.6974 178.7941 42 K 3.9081 8.3384 118.6345 59.7515 32.3003 177.6573 43 H 4.4246 8.3058 112.9534 54.6497 29.8288 174.8368 44 E 3.7462 7.8635 119.8009 57.4873 27.1878 177.2862 45 I 4.0612 7.9708 120.4013 60.5498 36.4903 176.2374 46 D 4.9460 8.1656 126.3687 51.5718 42.3102 177.4869 47 G 3.8538 9.1454 105.6248 48.4633 0.0000 175.5429 48 K 3.9008 8.0629 120.3543 59.0278 32.5115 178.1888 49 A 4.1322 8.4074 121.0468 54.8119 18.2680 179.2041 50 L 3.9630 8.4070 119.3618 58.5684 42.0480 179.3392 51 L 4.1344 7.6350 116.1017 56.6759 41.5891 178.2991 52 R 4.3620 7.4933 116.9309 55.4121 30.5404 176.0226 53 L 4.3734 7.0789 117.9200 55.4699 42.7205 175.9873 54 N 4.9770 8.1186 117.1000 50.6276 41.2239 175.5546 55 S 4.0920 8.6179 116.3419 61.7608 62.8320 176.3889 56 E 3.8334 8.1105 121.6052 59.2372 29.1936 179.4734 57 R 3.5010 8.9438 118.3381 59.3664 30.1082 179.0961 58 M 3.9834 8.0968 118.5301 58.4936 31.5772 178.8245 59 M 4.6202 8.1705 120.4807 57.6751 32.0263 178.7974 60 K 3.7138 7.9613 118.8895 59.1951 32.4244 177.6800 61 Y 4.8040 7.7689 115.2085 59.1827 38.9003 176.9501 62 M 4.3271 7.9817 116.6358 54.1552 32.8694 176.7025 63 G 3.9261 7.3916 106.5974 45.9388 0.0000 173.9205 64 L 4.1668 7.6629 119.7925 53.9962 42.4791 177.2510 65 K 4.6058 8.2490 121.3690 55.3599 34.4150 178.1058 66 L 4.0365 8.4478 121.8531 58.5195 41.8888 178.8412 67 G 3.7333 8.1737 104.9218 47.7913 0.0000 173.4724 68 P 4.2840 0.0000 0.0000 64.7827 31.3632 178.6229 69 A 4.0101 8.0862 119.5054 55.2616 18.3406 179.7158 70 L 3.9623 8.3800 117.9019 57.8688 41.7272 179.9660 71 K 4.0403 8.1283 118.5439 59.4391 31.9031 179.5633 72 I 3.8076 8.0506 120.2527 64.6074 36.9769 178.2289 73 C 4.1997 8.5012 117.9991 62.8081 27.6845 175.6679 74 N 4.3187 8.0578 117.8424 56.7662 38.3431 176.6566 75 L 4.2677 7.8456 119.9421 57.5483 41.7378 179.5526 76 V 3.7654 8.3602 118.7476 66.2598 31.2742 177.6977 77 N 5.0336 8.4539 117.7898 55.9024 38.1191 177.4973 78 K 4.1002 7.8316 118.2616 58.5328 32.1568 178.2188 79 V 4.1807 7.5255 109.9333 60.7197 32.3102 175.5099 80 N 4.4691 7.8256 124.3343 52.8579 37.2985 174.5613 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 11 R 8.24 4.37 0.00 1.85 2.10 0.00 3.21 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 12 S 8.15 4.09 0.00 4.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.36 4.58 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 14 P 0.00 2.00 0.00 1.55 0.94 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.55 0.00 15 I 7.15 3.70 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.80 0.00 0.00 16 D 7.59 4.87 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 W 8.36 4.83 0.00 3.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.95 4.69 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 19 I 8.13 4.14 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 1.01 0.00 0.00 20 E 8.18 4.04 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 21 E 8.18 3.72 0.00 2.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 22 V 7.96 3.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.42 0.00 0.00 23 I 7.89 3.56 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.85 0.00 0.00 24 Q 8.30 3.85 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 25 Y 7.86 4.02 0.00 2.65 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.70 3.33 1.56 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.27 0.66 0.00 0.00 27 E 8.27 3.87 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 28 S 8.21 4.26 0.00 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.44 4.88 0.00 2.38 2.69 0.00 0.00 6.66 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.01 4.45 0.00 2.52 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.62 4.30 0.00 2.71 2.77 0.00 0.00 6.85 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.85 4.30 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.85 4.40 0.00 1.79 1.66 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.97 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.66 3.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.88 0.00 0.00 36 H 8.18 4.83 0.00 3.39 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.28 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.16 4.51 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.97 4.15 0.00 1.94 2.12 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.58 3.94 0.00 3.39 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.09 3.98 0.00 2.13 2.02 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 42 K 8.34 3.91 0.00 1.79 2.09 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 43 H 8.31 4.42 0.00 3.15 3.25 0.00 5.86 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.86 3.75 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 45 I 7.97 4.06 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.33 1.00 0.00 0.00 46 D 8.17 4.95 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.15 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.06 3.90 0.00 1.76 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 49 A 8.41 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.41 3.96 0.00 2.03 1.96 1.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.63 4.13 0.00 1.63 1.67 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.49 4.36 0.00 1.92 2.11 0.00 3.26 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 53 L 7.08 4.37 0.00 1.86 1.59 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.12 4.98 0.00 2.93 2.86 0.00 0.00 5.71 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.62 4.09 0.00 4.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.11 3.83 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 57 R 8.94 3.50 0.00 1.88 2.04 0.00 3.59 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 58 M 8.10 3.98 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 59 M 8.17 4.62 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 60 K 7.96 3.71 0.00 1.41 1.12 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.00 1.32 7.81 61 Y 7.77 4.80 0.00 3.06 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 M 7.98 4.33 0.00 1.80 2.13 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.87 0.00 63 G 7.39 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.66 4.17 0.00 1.82 1.55 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.25 4.61 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.44 7.81 66 L 8.45 4.04 0.00 1.74 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.17 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.28 0.00 2.13 2.12 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 69 A 8.09 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.38 3.96 0.00 1.82 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.13 4.04 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 72 I 8.05 3.81 2.11 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 1.15 0.00 0.00 73 C 8.50 4.20 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.06 4.32 0.00 2.84 3.08 0.00 0.00 7.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.85 4.27 0.00 1.97 1.72 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.36 3.77 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.12 0.00 0.00 77 N 8.45 5.03 0.00 2.99 2.89 0.00 0.00 6.57 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.83 4.10 0.00 2.09 1.98 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.80 7.81 79 V 7.53 4.18 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.80 0.00 0.00 80 N 7.83 4.47 0.00 2.80 3.04 0.00 0.00 7.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00